(5E,8E)-11,11-dimethyl-2-(oxan-2-yloxy)-10-oxidanylidene-2-(thiolan-2-yl)pentadeca-5,8-dienenitrile

Systemtic Name: (5E,8E)-11,11-dimethyl-2-(oxan-2-yloxy)-10-oxidanylidene-2-(thiolan-2-yl)pentadeca-5,8-dienenitrile Openeye Name: (5E,8E)-11,11-dimethyl-10-oxo-2-tetrahydropyran-2-yloxy-2-tetrahydrothiophen-2-yl-pentadeca-5,8-dienenitrile CAS Name: (5E,8E)-11,11-dimethyl-2-(2-oxanyloxy)-10-oxo-2-(2-thiolanyl)pentadeca-5,8-dienenitrile IUPAC Name: (5E,8E)-11,11-dimethyl-2-(oxan-2-yloxy)-10-oxo-2-(thiolan-2-yl)pentadeca-5,8-dienenitrile Traditional Name: (5E,8E)-10-keto-11,11-dimethyl-2-tetrahydropyran-2-yloxy-2-tetrahydrothiophen-2-yl-pentadeca-5,8-dienenitrile Formula: C26H41NO3S MolecularWeight: 447.67364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(=O)C=CCC=CCCC(C#N)(C1CCCS1)OC2CCCCO2

Isomeric SMILES

CCCCC(C)(C)C(=O)/C=C/C/C=C/CCC(C#N)(C1CCCS1)OC2CCCCO2

InChI

InChI=1S/C26H41NO3S/c1-4-5-17-25(2,3)22(28)14-9-7-6-8-11-18-26(21-27,23-15-13-20-31-23)30-24-16-10-12-19-29-24/h6,8-9,14,23-24H,4-5,7,10-13,15-20H2,1-3H3/b8-6+,14-9+